| SpectraBase Compound ID | 83OpJqMqMo0 |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-11-8-9-12-6-4-3-5-7-13(12)10-11/h8-10H,2-7H2,1H3 |
| InChIKey | LCFWWRCCRRHEBP-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZIZk43HJ1 |
|---|---|
| Name | 5H-Benzocycloheptene, 2-ethyl-6,7,8,9-tetrahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-2-11-8-9-12-6-4-3-5-7-13(12)10-11/h8-10H,2-7H2,1H3 |
| InChIKey | LCFWWRCCRRHEBP-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=2C(=CC=C(C2)CC)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862805 |